Orca 5.0.2 RELEASE 1 2 3 4 5 17s13p8d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 6s5p4d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Br F F O O O C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 1 2 2 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:2.132,-3.8112,.2125;2.3596,-3.0497,2.7813;2.6161,-1.4433,1.3843;-3.8876,1.3382,-.2694;.5974,-2.2284,1.8973;1.4467,3.4533,.518;-3.3064,-.4102,-1.8327;-3.4108,1.098,-1.5745;-2.2567,-.9736,-.8837;-2.875,-.6048,-3.2905;-4.6757,-1.0653,-1.6538;-.9218,-.5969,-1.0303;-2.5681,-1.8053,.187;-3.3938,2.5144,.3347;.065,-.9992,-.1472;-1.5933,-2.2384,1.0758;-.286,-1.8243,.9091;-2.0185,2.3099,.918;-.9196,2.9911,.4124;-1.8412,1.4042,1.9637;.3451,2.7637,.9477;-.5811,1.1929,2.4955;.5231,1.8644,1.9856;1.8737,-2.5242,1.6638;1.6589,3.6525,-.8166;1.3447,2.6955,-1.7737;2.2629,4.8467,-1.1865;1.6238,2.9518,-3.1081;2.5485,5.0834,-2.5231;2.2227,4.1441,-3.4911;-2.4275,1.5589,-1.7309;-4.0918,1.5488,-2.3106;-1.9404,-.0947,-3.5273;-2.7427,-1.6635,-3.519;-3.6361,-.214,-3.9687;-5.0921,-.9285,-.6561;-4.6296,-2.1379,-1.8513;-5.3855,-.6351,-2.3629;-.6282,.0539,-1.8436;-3.5847,-2.1332,.3538;-3.3878,3.3556,-.3694;-4.0985,2.7702,1.1295;1.0721,-.6372,-.2938;-1.858,-2.882,1.9051;-1.0553,3.7042,-.3928;-2.6922,.8682,2.3658;-.4466,.4918,3.3091;1.5113,1.6972,2.3954;.8911,1.7552,-1.4886;2.51,5.5821,-.4316;1.3738,2.2059,-3.8512;3.021,6.0148,-2.807;2.4382,4.3368,-4.5336; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1732 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1269 ENuc 3588.2053649435 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.605e-06 Time for diagonalization 0.805 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.790 sec Total time needed 1.616 sec 35 9 9 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:2.132,-3.8112,.2125;2.3596,-3.0497,2.7813;2.6161,-1.4433,1.3843;-3.8876,1.3382,-.2694;.5974,-2.2284,1.8973;1.4467,3.4533,.518;-3.3064,-.4102,-1.8327;-3.4108,1.098,-1.5745;-2.2567,-.9736,-.8837;-2.875,-.6048,-3.2905;-4.6757,-1.0653,-1.6538;-.9218,-.5969,-1.0303;-2.5681,-1.8053,.187;-3.3938,2.5144,.3347;.065,-.9992,-.1472;-1.5933,-2.2384,1.0758;-.286,-1.8243,.9091;-2.0185,2.3099,.918;-.9196,2.9911,.4124;-1.8412,1.4042,1.9637;.3451,2.7637,.9477;-.5811,1.1929,2.4955;.5231,1.8644,1.9856;1.8737,-2.5242,1.6638;1.6589,3.6525,-.8166;1.3447,2.6955,-1.7737;2.2629,4.8467,-1.1865;1.6238,2.9518,-3.1081;2.5485,5.0834,-2.5231;2.2227,4.1441,-3.4911;-2.4275,1.5589,-1.7309;-4.0918,1.5488,-2.3106;-1.9404,-.0947,-3.5273;-2.7427,-1.6635,-3.519;-3.6361,-.214,-3.9687;-5.0921,-.9285,-.6561;-4.6296,-2.1379,-1.8513;-5.3855,-.6351,-2.3629;-.6282,.0539,-1.8436;-3.5847,-2.1332,.3538;-3.3878,3.3556,-.3694;-4.0985,2.7702,1.1295;1.0721,-.6372,-.2938;-1.858,-2.882,1.9051;-1.0553,3.7042,-.3928;-2.6922,.8682,2.3658;-.4466,.4918,3.3091;1.5113,1.6972,2.3954;.8911,1.7552,-1.4886;2.51,5.5821,-.4316;1.3738,2.2059,-3.8512;3.021,6.0148,-2.807;2.4382,4.3368,-4.5336; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:2.132,-3.8112,.2125;2.3596,-3.0497,2.7813;2.6161,-1.4433,1.3843;-3.8876,1.3382,-.2694;.5974,-2.2284,1.8973;1.4467,3.4533,.518;-3.3064,-.4102,-1.8327;-3.4108,1.098,-1.5745;-2.2567,-.9736,-.8837;-2.875,-.6048,-3.2905;-4.6757,-1.0653,-1.6538;-.9218,-.5969,-1.0303;-2.5681,-1.8053,.187;-3.3938,2.5144,.3347;.065,-.9992,-.1472;-1.5933,-2.2384,1.0758;-.286,-1.8243,.9091;-2.0185,2.3099,.918;-.9196,2.9911,.4124;-1.8412,1.4042,1.9637;.3451,2.7637,.9477;-.5811,1.1929,2.4955;.5231,1.8644,1.9856;1.8737,-2.5242,1.6638;1.6589,3.6525,-.8166;1.3447,2.6955,-1.7737;2.2629,4.8467,-1.1865;1.6238,2.9518,-3.1081;2.5485,5.0834,-2.5231;2.2227,4.1441,-3.4911;-2.4275,1.5589,-1.7309;-4.0918,1.5488,-2.3106;-1.9404,-.0947,-3.5273;-2.7427,-1.6635,-3.519;-3.6361,-.214,-3.9687;-5.0921,-.9285,-.6561;-4.6296,-2.1379,-1.8513;-5.3855,-.6351,-2.3629;-.6282,.0539,-1.8436;-3.5847,-2.1332,.3538;-3.3878,3.3556,-.3694;-4.0985,2.7702,1.1295;1.0721,-.6372,-.2938;-1.858,-2.882,1.9051;-1.0553,3.7042,-.3928;-2.6922,.8682,2.3658;-.4466,.4918,3.3091;1.5113,1.6972,2.3954;.8911,1.7552,-1.4886;2.51,5.5821,-.4316;1.3738,2.2059,-3.8512;3.021,6.0148,-2.807;2.4382,4.3368,-4.5336; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br F O C H 3.0600 1.7300 1.6280 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3045 GEPOL Volume 3259.1856 GEPOL Surface-area 1702.3031 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -3928.11318716 3588.20536494 -7516.31855210 -12573.15216559 5056.83361348 -0.02428689 -7846.91573202 3918.80254487 2.00237589 122.000279806044 122.000279806044 244.000559612087 -198.386311294324 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 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966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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10.0532 10.1139 10.1609 10.3267 10.3961 10.5764 10.6887 10.7517 10.8719 11.0031 11.0652 11.1577 11.2530 11.3697 11.3992 11.4975 11.5732 11.6672 11.7644 11.9106 11.9546 12.0237 12.1104 12.2272 12.3732 12.3981 12.5168 12.5907 12.6253 12.7226 12.8859 12.9593 13.1044 13.1671 13.2630 13.4274 13.4636 13.5103 13.6520 13.7350 13.7585 13.9182 13.9939 14.0678 14.1572 14.2883 14.3286 14.4063 14.4674 14.4945 14.5981 14.6524 14.7843 14.8721 14.8781 14.9761 15.0154 15.1778 15.3752 15.4200 15.4927 15.5349 15.7192 15.7659 15.8276 15.9354 15.9959 16.1859 16.3446 16.3872 16.4560 16.5684 16.6728 16.7022 16.9885 17.0280 17.2180 17.3434 17.3932 17.5327 17.7660 17.8177 17.9797 18.1548 18.1953 18.3614 18.4093 18.5701 18.7847 18.8863 19.0252 19.2178 19.2485 19.3226 19.4905 19.6253 19.7976 19.8552 19.9570 20.0991 20.2081 20.2926 20.4806 20.5195 20.6504 20.7863 20.9080 20.9586 21.1078 21.2780 21.4158 21.4524 21.5302 21.6018 21.6161 21.9337 22.0397 22.1208 22.2050 22.2552 22.3842 22.4356 22.5572 22.8408 22.9684 23.0690 23.1504 23.4121 23.5324 23.5758 23.7244 23.7709 23.9305 24.1100 24.1630 24.2840 24.4665 24.5287 24.5692 24.7548 24.8870 25.0685 25.1042 25.2195 25.2882 25.4246 25.5464 25.6928 25.7609 25.8744 25.9390 26.0452 26.1651 26.1713 26.3830 26.5191 26.6097 26.8509 27.0552 27.1290 27.2043 27.3426 27.3854 27.5615 27.8597 27.9363 28.0266 28.1159 28.2419 28.3995 28.5481 28.6796 28.9240 29.0022 29.2243 29.2932 29.3793 29.4432 29.6456 29.6860 29.9209 29.9959 30.0561 30.2010 30.2957 30.5009 30.6647 30.7786 30.8919 30.9237 31.0224 31.1943 31.3005 31.4003 31.6249 31.7342 31.8278 31.9103 32.1185 32.2573 32.3497 32.3892 32.5731 32.6426 32.6810 32.8101 32.9808 33.1491 33.2811 33.3883 33.5312 33.6195 33.9878 34.0308 34.1143 34.2121 34.4034 34.5486 34.7575 34.8916 35.0000 35.1068 35.1835 35.2849 35.3754 35.5572 35.6218 35.8072 35.9843 36.1988 36.3353 36.3870 36.5226 36.7542 36.8416 36.8931 37.1380 37.2514 37.4305 37.4994 37.6054 37.7200 37.8450 37.9442 38.0724 38.1795 38.2746 38.4725 38.5170 38.7477 38.8118 38.9064 39.0713 39.1476 39.2246 39.4033 39.4904 39.5208 39.5345 39.7559 39.8568 39.9250 39.9778 40.1337 40.2408 40.3102 40.4967 40.6249 40.8020 40.8612 40.9109 41.1401 41.2521 41.4375 41.4963 41.6196 41.7306 41.8840 41.9917 42.0711 42.1178 42.2632 42.4783 42.6932 42.8389 42.9049 43.1340 43.1774 43.3522 43.5412 43.6554 43.7099 43.8148 43.8932 44.1709 44.1833 44.3505 44.4384 44.5262 44.5557 44.7250 44.8652 44.8684 45.0034 45.1799 45.2432 45.3409 45.6581 45.7870 45.9173 45.9285 46.0344 46.1372 46.2264 46.4094 46.5055 46.6047 46.7556 46.8918 47.0528 47.1367 47.2176 47.4708 47.5789 47.6592 47.7151 47.8467 47.9797 48.0553 48.1695 48.3697 48.4518 48.6503 48.8108 48.9192 49.0003 49.1162 49.3047 49.3993 49.4514 49.7649 50.0357 50.0819 50.2953 50.4900 50.6257 50.6533 50.8213 50.9969 51.0998 51.2493 51.3981 51.4584 51.7278 52.0854 52.2420 52.2579 52.5892 52.9322 53.1153 53.1770 53.3510 53.3863 53.5870 54.0123 54.3749 54.4879 54.7481 54.8427 55.0534 55.1472 55.4386 55.6723 55.8883 55.9518 56.1121 56.2619 56.5572 56.6003 56.8150 56.9355 57.1111 57.3055 57.3813 57.6268 57.8522 57.9781 58.2087 58.4454 58.6596 58.7901 58.9379 59.2371 59.4155 59.7246 59.9330 59.9726 60.2331 60.3436 60.6196 60.7934 61.0796 61.1934 61.5970 61.7537 61.8476 62.1725 62.3355 62.8992 63.1225 63.2314 63.4112 63.6523 63.7635 64.0635 64.1311 64.3069 64.4751 64.5775 64.9977 65.2060 65.4413 65.5602 65.7050 65.9020 66.0008 66.1134 66.1812 66.5151 66.5975 66.8376 66.8703 67.0655 67.2085 67.2914 67.5832 67.6853 67.9981 68.0903 68.5579 68.6360 68.8336 69.0976 69.2584 69.3545 69.4907 69.7273 69.8631 70.1801 70.6695 70.9305 71.4934 71.7580 71.9854 72.1261 72.3383 72.8422 73.2181 73.5133 73.6506 73.9475 74.2929 74.6178 74.6450 74.7640 74.9044 75.0706 75.2365 75.3318 75.4982 75.8946 76.0928 76.2642 76.3260 76.5836 76.7597 76.8022 76.9175 76.9234 77.2036 77.3821 77.5700 77.6964 77.8040 77.9419 78.2236 78.2472 78.3237 78.4379 78.5127 78.6098 78.7599 78.8684 78.9837 79.2179 79.3121 79.3777 79.4597 79.6359 79.8215 79.8891 79.9763 80.0063 80.1546 80.3234 80.5598 80.6775 80.9010 81.1589 81.3153 81.6360 81.7447 81.8167 82.0273 82.1197 82.1586 82.3868 82.6304 82.8115 82.8527 82.9355 83.0614 83.3581 83.4476 83.5227 83.6617 83.7418 83.7784 83.7863 84.1721 84.3193 84.5050 84.6160 84.8245 84.8931 85.0392 85.1025 85.2155 85.3010 85.4379 85.5991 85.6420 85.7240 85.8387 85.9386 86.0038 86.1069 86.2201 86.2977 86.4171 86.4483 86.5999 86.8715 86.9800 87.0595 87.1389 87.3254 87.4959 87.5245 87.5949 87.6823 87.7873 87.8790 87.9921 88.1593 88.1955 88.3039 88.4021 88.6231 88.7428 88.8221 88.8768 89.0253 89.1599 89.2631 89.3377 89.4215 89.5553 89.5648 89.7875 89.8493 90.0145 90.2645 90.3706 90.3792 90.4679 90.5398 90.6354 90.9001 90.9533 91.2147 91.3559 91.4061 91.5122 91.7177 91.7542 92.1190 92.2484 92.3084 92.4058 92.5610 92.7135 92.7397 92.8677 93.0566 93.1456 93.1702 93.2252 93.3587 93.5195 93.5864 93.6424 93.7480 93.8645 94.0479 94.0922 94.1862 94.2755 94.4763 94.7217 94.7492 94.7744 94.9322 94.9471 95.0503 95.3247 95.3356 95.4686 95.5874 95.7544 95.7800 95.9188 96.0875 96.1801 96.2754 96.3984 96.6345 96.7498 96.8495 96.9539 97.0328 97.2089 97.2919 97.6338 97.6933 97.7623 97.8358 97.9838 98.1900 98.3179 98.3684 98.5537 98.6690 98.7508 98.8639 99.0448 99.2007 99.3783 99.5695 99.7098 99.7488 99.8947 99.9434 100.1183 100.2461 100.3245 100.4692 100.6233 100.7427 100.8833 101.2341 101.2945 101.3223 101.5562 101.6280 101.9101 102.1323 102.5436 102.6624 102.8509 102.9189 103.0273 103.1442 103.3909 103.4925 103.7015 103.8876 103.9182 104.1240 104.3280 104.6731 104.7267 104.9018 104.9828 105.1440 105.2011 105.4246 105.5505 105.6313 105.6806 105.7589 105.9357 105.9878 106.0487 106.1703 106.1947 106.3429 106.4871 106.5926 106.6626 106.8224 106.9622 106.9687 107.1427 107.2982 107.3896 107.4654 107.6209 107.6773 107.8591 107.9931 108.1489 108.2193 108.3354 108.3907 108.6389 108.7895 109.1177 109.1737 109.4482 109.5639 109.8264 109.9078 110.0503 110.1732 110.4834 110.6919 110.7365 110.9278 111.2063 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129.7667 129.9176 130.1175 130.4034 130.4790 130.6121 130.7764 131.1163 131.2996 131.3593 131.4209 131.7208 131.7847 131.8749 132.0358 132.1733 132.4114 132.5357 132.7007 132.8956 132.9715 133.1073 133.2633 133.2946 133.3762 133.6907 133.8124 133.9251 134.2612 134.5110 134.6335 135.1876 135.2635 135.4383 135.6517 135.9408 136.2566 136.4029 136.7945 136.9364 137.1467 137.3457 137.6920 137.9022 138.2265 138.4077 138.6499 138.8709 138.9905 139.0204 139.2314 139.4078 139.8589 140.2892 140.3859 140.9642 141.0675 141.4433 141.7052 141.7765 142.5436 143.0363 143.7746 143.9926 144.2767 144.5842 144.6912 144.8470 145.1080 145.2905 145.3136 145.5350 145.9647 146.3776 146.4441 146.7486 147.0618 147.3911 147.4499 147.5186 147.9102 147.9659 148.3911 148.4447 148.8617 148.8906 148.9457 149.3604 149.4075 149.6165 149.7998 149.9369 150.1858 150.4724 150.9149 151.0414 151.2927 151.5514 151.6461 152.2071 152.7284 152.9638 153.1660 153.3881 153.8405 154.2022 154.4555 154.6872 154.9223 155.2190 155.6240 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